Geometry & MOs

Info

ID:	202507
PubChem CID:	79679704
Reduced:	FN2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	3.65
IP(EA), eV:	-7.96(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxy-4-methylphenyl)-2-methylcyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCN1C2=CC(=C(C=C2)F)N

DOS

IR

Vibrations